2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

C25H23F2N3O3 — CID 69002875

About 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 69002875) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
• PubChem CID: 69002875
• Molecular Formula: C25H23F2N3O3
• Molecular Weight: 451.47 g/mol
• Exact Mass: 451.17
• IUPAC Name: 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
• SMILES: COc1cccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)CF)c1
• InChI: InChI=1S/C25H23F2N3O3/c1-33-21-4-2-3-16(12-21)25(22(15-31)29-24(32)13-26)17-5-10-23-18(11-17)14-28-30(23)20-8-6-19(27)7-9-20/h2-12,14,22,25,31H,13,15H2,1H3,(H,29,32)/t22-,25?/m1/s1
• InChIKey: ZHNQXMWLUHSLMH-UFUCKMQHSA-N
• XLogP: 3.75
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.47
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

The IUPAC name of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide (CID 69002875) is 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide.

What is the SMILES notation for 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

The canonical SMILES for 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide is COc1cccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)CF)c1.

What is the InChIKey of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

The InChIKey is ZHNQXMWLUHSLMH-UFUCKMQHSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-33-21-4-2-3-16(12-21)25(22(15-31)29-24(32)13-26)17-5-10-23-18(11-17)14-28-30(23)20-8-6-19(27)7-9-20/h2-12,14,22,25,31H,13,15H2,1H3,(H,29,32)/t22-,25?/m1/s1.

What are the key properties of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 451.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 69002875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).